Hexane-d₁₄ - ≥99 atom% D , CAS No.21666-38-6

CAS: 21666-38-6 Cat. No.: H121283 Formula: CD₃(CD₂)₄CD₃ Peso molecolare: 100.26 Beilstein Registry Number: 100.26 Numero EC: 680-747-2

QUALITÀ & PUREZZA ≥99 atom% D

Synonyms

Tetradecadeuterohexane|N-HEXANE-D14|n-Hexane-d{14}|1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane|Hexane-1,1,1,2,2,3,3,4,4,5,5,6,6,6-d14|Hexane-d14

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Panoramica

Hexane-d14 is a deuterated NMR solvent that is useful in NMR-based research and analyses.

Specifiche

Sinonimi

Tetradecadeuterohexane | N-HEXANE-D14 | n-Hexane-d{14} | 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane | Hexane-1,1,1,2,2,3,3,4,4,5,5,6,6,6-d14 | Hexane-d14

Specifiche e purezza

≥99 atom% D

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged

Spedito in

Normal

Purezza

≥99 atom% D

Nomi e identificatori

Pubchem Sid

508813878

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813878

Sorrisi canonici

CCCCCC

IUPAC Name

1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane

InChIKey

VLKZOEOYAKHREP-ZLKPZJALSA-N

INCHI

1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2

Isomeri SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

WGK Germania

3

CAS alternativo

110-54-3（ Unlabeled）

Peso molecolare

100.26

Beilstein

100.26

Reaxy-Rn

1730733

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730733&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Solubilità: Mixes with most organic solvents, chloroform, ether and alcohol. Insoluble in water.
• Sensibilità: Hygroscopic；Light sensitive
• Indice di rifrazione: 1.3718
• Punto di infiammabilità (°F): 10.4 °F
• Punto di infiammabilità (°C): -12 °C
• Punto di ebollizione (°C): 69°C
• Peso molecolare: 100.260 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 100.197 Da
• Monoisotopic Mass: 100.197 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 12.000
• Isotope Atom Count: 14
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1